3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile

C17H18N4O — CID 133491875

IUPAC3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
SMILESCOc1ccccc1C1(CNc2nccnc2C#N)CCC1
InChIInChI=1S/C17H18N4O/c1-22-15-6-3-2-5-13(15)17(7-4-8-17)12-21-16-14(11-18)19-9-10-20-16/h2-3,5-6,9-10H,4,7-8,12H2,1H3,(H,20,21)
InChIKeyXSISVFYNHXNRHM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.89
Rot. Bonds5

About 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile

3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133491875) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133491875
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
SMILESCOc1ccccc1C1(CNc2nccnc2C#N)CCC1
InChIInChI=1S/C17H18N4O/c1-22-15-6-3-2-5-13(15)17(7-4-8-17)12-21-16-14(11-18)19-9-10-20-16/h2-3,5-6,9-10H,4,7-8,12H2,1H3,(H,20,21)
InChIKeyXSISVFYNHXNRHM-UHFFFAOYSA-N
XLogP2.89
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile (CID 133491875) is 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile is COc1ccccc1C1(CNc2nccnc2C#N)CCC1.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is XSISVFYNHXNRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-15-6-3-2-5-13(15)17(7-4-8-17)12-21-16-14(11-18)19-9-10-20-16/h2-3,5-6,9-10H,4,7-8,12H2,1H3,(H,20,21).
What are the key properties of 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile?
3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133491875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).